Basic Information | Post buying leads | Suppliers |
Name |
4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine |
EINECS | N/A |
CAS No. | 1092352-49-2 | Density | 1.644 g/cm3 |
PSA | 67.59000 | LogP | 1.77470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5ClN4 | Boiling Point | 429.958 °C at 760 mmHg |
Molecular Weight | 168.58 | Flash Point | 213.831 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7H-Pyrrolo[2,3-d]pyrimidin-5-amine, 4-chloro-; |
The 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine, with the CAS registry number 1092352-49-2, is also known as 7H-Pyrrolo[2,3-d]pyrimidin-5-amine, 4-chloro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C6H5ClN4 and molecular weight is 168.58.
Physical properties of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 8; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 67.59 Å2; (9)Index of Refraction: 1.8; (10)Molar Refractivity: 43.842 cm3; (11)Molar Volume: 102.55 cm3; (12)Surface Tension: 95.653 dyne/cm; (13)Density: 1.644 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1ncc(N)c12
(2)InChI: InChI=1S/C6H5ClN4/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,8H2,(H,9,10,11)
(3)InChIKey: KAUCHHKKEDFVMC-UHFFFAOYSA-N